CXZ LATTICE,NONEQUIV.ATOMS  12   15 B2/b    
MODE OF CALC=RELA unit=bohr
 33.087215 23.341897 18.935056 90.000000 90.000000 89.240000
ATOM  -1: X=0.66000000 Y=0.02500000 Z=0.15500000
          MULT= 4          ISPLIT=15
      -1: X=0.34000000 Y=0.97500000 Z=0.84500000
      -1: X=0.34000000 Y=0.47500000 Z=0.15500000
      -1: X=0.66000000 Y=0.52500000 Z=0.84500000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.79100000 Y=0.12600000 Z=0.17700000
          MULT= 4          ISPLIT=15
      -2: X=0.20900000 Y=0.87400000 Z=0.82300000
      -2: X=0.20900000 Y=0.37400000 Z=0.17700000
      -2: X=0.79100000 Y=0.62600000 Z=0.82300000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.71100000 Y=0.08200000 Z=0.39300000
          MULT= 4          ISPLIT=15
      -3: X=0.28900000 Y=0.91800000 Z=0.60700000
      -3: X=0.28900000 Y=0.41800000 Z=0.39300000
      -3: X=0.71100000 Y=0.58200000 Z=0.60700000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.25000000 Z=0.88500000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.75000000 Z=0.11500000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.28000000
          MULT= 2          ISPLIT=15
      -5: X=0.00000000 Y=0.75000000 Z=0.72000000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.89000000 Y=0.52300000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -6: X=0.11000000 Y=0.47700000 Z=0.75000000
      -6: X=0.11000000 Y=0.97700000 Z=0.25000000
      -6: X=0.89000000 Y=0.02300000 Z=0.75000000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.83700000 Y=0.17200000 Z=0.40900000
          MULT= 4          ISPLIT=15
      -7: X=0.16300000 Y=0.82800000 Z=0.59100000
      -7: X=0.16300000 Y=0.32800000 Z=0.40900000
      -7: X=0.83700000 Y=0.67200000 Z=0.59100000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.74100000 Y=0.56800000 Z=0.04600000
          MULT= 4          ISPLIT=15
      -8: X=0.25900000 Y=0.43200000 Z=0.95400000
      -8: X=0.25900000 Y=0.93200000 Z=0.04600000
      -8: X=0.74100000 Y=0.06800000 Z=0.95400000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.66700000 Y=0.21900000 Z=0.22300000
          MULT= 4          ISPLIT=15
      -9: X=0.33300000 Y=0.78100000 Z=0.77700000
      -9: X=0.33300000 Y=0.28100000 Z=0.22300000
      -9: X=0.66700000 Y=0.71900000 Z=0.77700000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.91200000 Y=0.02100000 Z=0.13200000
          MULT= 4          ISPLIT=15
     -10: X=0.08800000 Y=0.97900000 Z=0.86800000
     -10: X=0.08800000 Y=0.47900000 Z=0.13200000
     -10: X=0.91200000 Y=0.52100000 Z=0.86800000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.53300000 Y=0.08100000 Z=0.03600000
          MULT= 4          ISPLIT=15
     -11: X=0.46700000 Y=0.91900000 Z=0.96400000
     -11: X=0.46700000 Y=0.41900000 Z=0.03600000
     -11: X=0.53300000 Y=0.58100000 Z=0.96400000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.85000000 Y=0.30400000 Z=0.08500000
          MULT= 4          ISPLIT=15
     -12: X=0.15000000 Y=0.69600000 Z=0.91500000
     -12: X=0.15000000 Y=0.19600000 Z=0.08500000
     -12: X=0.85000000 Y=0.80400000 Z=0.91500000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000